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2'-Deoxyadenosine 5'-monophosphate

CAT: 0127-OR1027552-01Size: 100 mgDry Ice: NoHazardous: No
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CAS Number
653-63-4
Synonyms
[ (2R,3S,5R) -5- (6-aminopurin-9-yl) -3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
MDL Number
MFCD00005753
Purity
98%
Smiles
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O

Chemical Information

dAMP

2'-deoxyadenosine 5'-monophosphate is a purine 2'-deoxyribonucleoside 5'-monophosphate having adenine as the nucleobase. It has a role as a fundamental metabolite. It is a 2'-deoxyadenosine 5'-phosphate and a purine 2'-deoxyribonucleoside 5'-monophosphate. It is a conjugate acid of a 2'-deoxyadenosine 5'-monophosphate(2-).

CAS Number653-63-4
PubChem CID12599
IUPAC Name[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Molecular FormulaC10H14N5O6P
Molecular Weight331.22
XLogP-2.2
Topological Polar Surface Area166
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity452
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O
InChI
InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKey
KHWCHTKSEGGWEX-RRKCRQDMSA-N
Chemical Structure
2D Structure
2D structure of dAMP
CAS: 653-63-4
CID: 12599
Formula: C10H14N5O6P
MW: 331.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.22
XLogP3-2.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass331.06817018
Monoisotopic Mass331.06817018
Topological Polar Surface Area166 Ų
Heavy Atom Count22
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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